element(s): ['Ag'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1492'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 15:02:23 -11.360120 0.448192 BFGS: 1 15:02:23 -11.368293 0.402562 BFGS: 2 15:02:23 -11.399968 0.008610 BFGS: 3 15:02:23 -11.399998 0.000684 BFGS: 4 15:02:23 -11.399981 0.000053 BFGS: 5 15:02:23 -11.399981 0.000005 BFGS: 6 15:02:23 -11.399981 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.5969359874069524e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [8.36535923e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.88371143e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.089649633212353, 1.97999232980549e-32, -1.9143649688566983e-32], [4.313002863936893e-33, 4.089649633212353, 1.1584882032751753e-17], [1.5934894975199865e-33, 1.1584882032751735e-17, 4.089649633212353]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.59693599e-12 2.59693599e-12 2.59693599e-12 -2.40210609e-29 3.83837167e-36 1.32896140e-52] energy per atom = -2.8499951452194745 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0